2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine

C13H18ClN3 — CID 162695102

IUPAC2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine
SMILESCN1CCC2NC(c3ccccc3Cl)NC2C1
InChIInChI=1S/C13H18ClN3/c1-17-7-6-11-12(8-17)16-13(15-11)9-4-2-3-5-10(9)14/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyWQDIDFNQWSBWFH-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.60
Rot. Bonds1

About 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine

2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine (PubChem CID 162695102) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine
PubChem CID162695102
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine
SMILESCN1CCC2NC(c3ccccc3Cl)NC2C1
InChIInChI=1S/C13H18ClN3/c1-17-7-6-11-12(8-17)16-13(15-11)9-4-2-3-5-10(9)14/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyWQDIDFNQWSBWFH-UHFFFAOYSA-N
XLogP1.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine (CID 162695102) is 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine is CN1CCC2NC(c3ccccc3Cl)NC2C1.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The InChIKey is WQDIDFNQWSBWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-17-7-6-11-12(8-17)16-13(15-11)9-4-2-3-5-10(9)14/h2-5,11-13,15-16H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine?
2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine has a molecular weight of 251.76 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 162695102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).